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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Flavonoids (863)
Cinnamic acids and derivatives (840)
Coumarins and derivatives (667)
Linear 1 3-diarylpropanoids (424)
Phenylpropanoic acids (332)
Depsides and depsidones (285)
Isoflavonoids (200)
Cinnamaldehydes (120)
Stilbenes (105)
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Neoflavonoids (14)
Ochratoxins and related substances (11)
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Keyword Search:
211 – 225 of 3,533 results
211

Chlortetracycline hydrochloride

CAS: 64-72-2 Molecular Formula: C22H24Cl2N2O8 Molecular Weight (g/mol): 515.34 MDL Number: MFCD00082440 InChI Key: QYAPHLRPFNSDNH-CIVPRPTRSA-N Synonym: chlortetracycline hydrochloride,4-epi-chlortetracycline hydrochloride,2-amino hydroxy methylidene-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride,2-azanyl oxidanyl methylidene-7-chloranyl-4-dimethylamino-6-methyl-6,10,11,12a-tetrakis oxidanyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride PubChem CID: 66577600 IUPAC Name: (4S,4aR,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl

PubChem CID 66577600
CAS 64-72-2
Molecular Weight (g/mol) 515.34
MDL Number MFCD00082440
SMILES CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl
Synonym chlortetracycline hydrochloride,4-epi-chlortetracycline hydrochloride,2-amino hydroxy methylidene-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride,2-azanyl oxidanyl methylidene-7-chloranyl-4-dimethylamino-6-methyl-6,10,11,12a-tetrakis oxidanyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride
IUPAC Name (4S,4aR,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
InChI Key QYAPHLRPFNSDNH-CIVPRPTRSA-N
Molecular Formula C22H24Cl2N2O8
212

3-(4-Hydroxy-3-methoxyphenyl)propionic acid, 97%

CAS: 1135-23-5 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00016558 InChI Key: BOLQJTPHPSDZHR-UHFFFAOYSA-N Synonym: 3-4-hydroxy-3-methoxyphenyl propanoic acid,3-4-hydroxy-3-methoxyphenyl propionic acid,dihydroferulic acid,hydroferulic acid,dihydroconiferylic acid,unii-o01rnc700m,benzenepropanoic acid, 4-hydroxy-3-methoxy,3-4-hydroxymethyl propionic acid,.beta.-4-hydroxy-3-methoxyphenyl propionic acid,3-4-hydroxy-3-methoxy-phenyl propanoic acid PubChem CID: 14340 ChEBI: CHEBI:86612 IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)propanoic acid SMILES: COC1=C(C=CC(=C1)CCC(=O)O)O

PubChem CID 14340
CAS 1135-23-5
Molecular Weight (g/mol) 196.202
ChEBI CHEBI:86612
MDL Number MFCD00016558
SMILES COC1=C(C=CC(=C1)CCC(=O)O)O
Synonym 3-4-hydroxy-3-methoxyphenyl propanoic acid,3-4-hydroxy-3-methoxyphenyl propionic acid,dihydroferulic acid,hydroferulic acid,dihydroconiferylic acid,unii-o01rnc700m,benzenepropanoic acid, 4-hydroxy-3-methoxy,3-4-hydroxymethyl propionic acid,.beta.-4-hydroxy-3-methoxyphenyl propionic acid,3-4-hydroxy-3-methoxy-phenyl propanoic acid
IUPAC Name 3-(4-hydroxy-3-methoxyphenyl)propanoic acid
InChI Key BOLQJTPHPSDZHR-UHFFFAOYSA-N
Molecular Formula C10H12O4
213

Puerarin, 98%

CAS: 3681-99-0 Molecular Formula: C21H20O9 Molecular Weight (g/mol): 416.38 MDL Number: MFCD00063399 InChI Key: HKEAFJYKMMKDOR-VPRICQMDSA-N Synonym: 8-beta-d-glucopyranosyl-4',7-dihydroxyisoflavone PubChem CID: 53384442 IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1

PubChem CID 53384442
CAS 3681-99-0
Molecular Weight (g/mol) 416.38
MDL Number MFCD00063399
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1
Synonym 8-beta-d-glucopyranosyl-4',7-dihydroxyisoflavone
IUPAC Name 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
InChI Key HKEAFJYKMMKDOR-VPRICQMDSA-N
Molecular Formula C21H20O9
214

Mineral Oil, Contains Vitamin E as a stabilizer in the range of 10 to 100ppm, U.S.P., J.T. Baker™

CAS: 8012-95-1 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *

PubChem CID 68245
CAS 8012-95-1
Molecular Weight (g/mol) 0.00
ChEBI CHEBI:38701
MDL Number MFCD00131611
SMILES *
Synonym delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride
IUPAC Name 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride
InChI Key FFNDMZIBVDSQFI-UHFFFAOYSA-N
Molecular Formula MFCD00131611
215

3-(4-Chlorosulfonylphenyl)propionic acid, 99%

CAS: 63545-54-0 Molecular Formula: C9H9ClO4S Molecular Weight (g/mol): 248.68 MDL Number: MFCD02179510 InChI Key: INJMPXHPNFJMLG-UHFFFAOYSA-N Synonym: 3-4-chlorosulfonyl phenyl propanoic acid,benzenepropanoicacid, 4-chlorosulfonyl,3-4-chlorosulphonyl phenyl propanoic acid,3-4-chlorosulfonylphenyl propionic acid,3-4-chlorosulfonylphenyl propanoic acid,p-chlorosylphonyldihydrocinnamic acid,4-chlorosulfonyl benzenepropanoic acid,4-chlorosulphonyl dihydrocinnamic acid,p-chlorosulphonyldihydrocinnamic acid PubChem CID: 2757915 IUPAC Name: 3-[4-(chlorosulfonyl)phenyl]propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)S(Cl)(=O)=O

PubChem CID 2757915
CAS 63545-54-0
Molecular Weight (g/mol) 248.68
MDL Number MFCD02179510
SMILES OC(=O)CCC1=CC=C(C=C1)S(Cl)(=O)=O
Synonym 3-4-chlorosulfonyl phenyl propanoic acid,benzenepropanoicacid, 4-chlorosulfonyl,3-4-chlorosulphonyl phenyl propanoic acid,3-4-chlorosulfonylphenyl propionic acid,3-4-chlorosulfonylphenyl propanoic acid,p-chlorosylphonyldihydrocinnamic acid,4-chlorosulfonyl benzenepropanoic acid,4-chlorosulphonyl dihydrocinnamic acid,p-chlorosulphonyldihydrocinnamic acid
IUPAC Name 3-[4-(chlorosulfonyl)phenyl]propanoic acid
InChI Key INJMPXHPNFJMLG-UHFFFAOYSA-N
Molecular Formula C9H9ClO4S
216

Spectrum Chemical Manufacturing Corporation Paraffin, NF, Spectrum™ Chemical
SDP

CAS: 8002-74-2 Molecular Formula: C21H27NO3 Molecular Weight (g/mol): 341.45 InChI Key: JWHAUXFOSRPERK-UHFFFAOYNA-N IUPAC Name: 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one SMILES: CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1

CAS 8002-74-2
Molecular Weight (g/mol) 341.45
SMILES CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
IUPAC Name 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one
InChI Key JWHAUXFOSRPERK-UHFFFAOYNA-N
Molecular Formula C21H27NO3
217

4-Nitrocinnamaldehyde, predominantly trans, 98%

CAS: 1734-79-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD00007379 InChI Key: ALGQVMMYDWQDEC-OWOJBTEDSA-N Synonym: 4-nitrocinnamaldehyde,3-4-nitrophenyl acrylaldehyde,p-nitrocinnamaldehyde,2-propenal, 3-4-nitrophenyl,cinnamaldehyde, p-nitro,trans-4-nitrocinnamaldehyde,e-3-4-nitrophenyl acrylaldehyde,3-4-nitrophenyl-2-propenal,unii-48r8lam7yx,2e-3-4-nitrophenyl prop-2-enal PubChem CID: 5354135 IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-enal SMILES: C1=CC(=CC=C1C=CC=O)[N+](=O)[O-]

PubChem CID 5354135
CAS 1734-79-8
Molecular Weight (g/mol) 177.159
MDL Number MFCD00007379
SMILES C1=CC(=CC=C1C=CC=O)[N+](=O)[O-]
Synonym 4-nitrocinnamaldehyde,3-4-nitrophenyl acrylaldehyde,p-nitrocinnamaldehyde,2-propenal, 3-4-nitrophenyl,cinnamaldehyde, p-nitro,trans-4-nitrocinnamaldehyde,e-3-4-nitrophenyl acrylaldehyde,3-4-nitrophenyl-2-propenal,unii-48r8lam7yx,2e-3-4-nitrophenyl prop-2-enal
IUPAC Name (E)-3-(4-nitrophenyl)prop-2-enal
InChI Key ALGQVMMYDWQDEC-OWOJBTEDSA-N
Molecular Formula C9H7NO3
218

4-Acetamidocinnamic acid, predominantly trans, 98%

CAS: 1918352 MDL Number: MFCD00016846 ChEBI: CHEBI:16388

CAS 1918352
ChEBI CHEBI:16388
MDL Number MFCD00016846
219

Paraffin, NF, Spectrum™ Chemical
SDP

CAS: 8002-74-2 Molecular Formula: C21H27NO3 Molecular Weight (g/mol): 341.45 InChI Key: JWHAUXFOSRPERK-UHFFFAOYNA-N IUPAC Name: 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one SMILES: CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1

CAS 8002-74-2
Molecular Weight (g/mol) 341.45
SMILES CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
IUPAC Name 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one
InChI Key JWHAUXFOSRPERK-UHFFFAOYNA-N
Molecular Formula C21H27NO3
220

4-Methoxycoumarin, 98%

CAS: 20280-81-3 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00017349 InChI Key: MLCMXDYMSAZNPC-UHFFFAOYSA-N PubChem CID: 529426 IUPAC Name: 4-methoxychromen-2-one SMILES: COC1=CC(=O)OC2=CC=CC=C21

PubChem CID 529426
CAS 20280-81-3
Molecular Weight (g/mol) 176.171
MDL Number MFCD00017349
SMILES COC1=CC(=O)OC2=CC=CC=C21
IUPAC Name 4-methoxychromen-2-one
InChI Key MLCMXDYMSAZNPC-UHFFFAOYSA-N
Molecular Formula C10H8O3
221

alpha-Bromocinnamaldehyde, 98%

CAS: 5443-49-2 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.058 MDL Number: MFCD00006965 InChI Key: WQRWNOKNRHCLHV-TWGQIWQCSA-N Synonym: alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo PubChem CID: 5369403 IUPAC Name: (Z)-2-bromo-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=C(C=O)Br

PubChem CID 5369403
CAS 5443-49-2
Molecular Weight (g/mol) 211.058
MDL Number MFCD00006965
SMILES C1=CC=C(C=C1)C=C(C=O)Br
Synonym alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo
IUPAC Name (Z)-2-bromo-3-phenylprop-2-enal
InChI Key WQRWNOKNRHCLHV-TWGQIWQCSA-N
Molecular Formula C9H7BrO
222

Cinnamic Aldehyde, MP Biomedicals™

CAS: 104-55-2 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 IUPAC Name: (E)-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=CC=O

PubChem CID 637511
CAS 104-55-2
Molecular Weight (g/mol) 132.162
ChEBI CHEBI:16731
SMILES C1=CC=C(C=C1)C=CC=O
Synonym cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal
IUPAC Name (E)-3-phenylprop-2-enal
InChI Key KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Molecular Formula C9H8O
223

4-Hydroxycoumarin, 98+%

CAS: 1076-38-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006856 InChI Key: OWBBAPRUYLEWRR-UHFFFAOYSA-N Synonym: 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd PubChem CID: 54682930 ChEBI: CHEBI:40070 IUPAC Name: 4-hydroxychromen-2-one SMILES: OC1=CC(=O)C2=CC=CC=C2O1

PubChem CID 54682930
CAS 1076-38-6
Molecular Weight (g/mol) 162.14
ChEBI CHEBI:40070
MDL Number MFCD00006856
SMILES OC1=CC(=O)C2=CC=CC=C2O1
Synonym 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd
IUPAC Name 4-hydroxychromen-2-one
InChI Key OWBBAPRUYLEWRR-UHFFFAOYSA-N
Molecular Formula C9H6O3
224

p-Coumaric Acid, 98+%, (Crystalline), MP Biomedicals

CAS: 7400-08-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 InChI Key: NGSWKAQJJWESNS-ZZXKWVIFSA-N Synonym: p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid PubChem CID: 637542 ChEBI: CHEBI:32374 IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)O

PubChem CID 637542
CAS 7400-08-0
Molecular Weight (g/mol) 164.16
ChEBI CHEBI:32374
SMILES C1=CC(=CC=C1C=CC(=O)O)O
Synonym p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid
IUPAC Name (E)-3-(4-hydroxyphenyl)prop-2-enoic acid
InChI Key NGSWKAQJJWESNS-ZZXKWVIFSA-N
Molecular Formula C9H8O3
225

(-)-Epigallocatechin

CAS: 970-74-1 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 MDL Number: MFCD00075939 InChI Key: XMOCLSLCDHWDHP-IUODEOHRSA-N Synonym: --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol PubChem CID: 72277 ChEBI: CHEBI:42255 IUPAC Name: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O

PubChem CID 72277
CAS 970-74-1
Molecular Weight (g/mol) 306.27
ChEBI CHEBI:42255
MDL Number MFCD00075939
SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
Synonym --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol
IUPAC Name (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
InChI Key XMOCLSLCDHWDHP-IUODEOHRSA-N
Molecular Formula C15H14O7